Information card for entry 4349748

Structure parameters

• Formula: C20 H35 Cu2 N9 O11
• Calculated formula: C20 H35 Cu2 N9 O11
• SMILES: [Cu]1234[OH][Cu]5([n]6c(cc(n6CCCCn6[n]1c(cc6C)C=[N]2CCC)C)C=[N]5CCC)(ON(=[O]3)=O)[O]4N(=O)=O.N(=O)(=O)[O-].O
• Title of publication: A novel environment-friendly hybrid material based on a modified silica gel with a bispyrazole derivative for the removal of ZnII, PbII, CdII and CuII traces from aqueous solutions
• Authors of publication: Radi, Smaail; El Massaoudi, Mohamed; Bacquet, Maryse; Degoutin, Stéphanie; Adarsh, N. N.; Robeyns, Koen; Garcia, Yann
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 1821
• a: 8.2425 ± 0.0002 Å
• b: 15.2469 ± 0.0004 Å
• c: 23.4816 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2950.99 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No